[gmx-users] Topology files
skirtana4 at gmail.com
Tue Feb 28 23:56:09 CET 2012
Thanks for the documentation. Again I have a ligand terminated silica
nanoparticle ,what can be the easiest way to approach the topology file
On Tue, Feb 28, 2012 at 5:46 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
> kirtana S wrote:
>> For example if I have a polystyrene polymer chains and monomers of user
>> defined solvent . I need to construct the .itp file by hand .
> Polystyrene is most easily generated using .rtp entries in pdb2gmx. The
> solvent can be described by manually created .itp files.
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
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